(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol

C13H24O — CID 78109943

IUPAC(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
SMILESCC1(C)CCCC2(C)CC(CO)CC12
InChIInChI=1S/C13H24O/c1-12(2)5-4-6-13(3)8-10(9-14)7-11(12)13/h10-11,14H,4-9H2,1-3H3
InChIKeyKFJWFTTXPFDTPL-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds1

About (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol

(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol (PubChem CID 78109943) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
PubChem CID78109943
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
SMILESCC1(C)CCCC2(C)CC(CO)CC12
InChIInChI=1S/C13H24O/c1-12(2)5-4-6-13(3)8-10(9-14)7-11(12)13/h10-11,14H,4-9H2,1-3H3
InChIKeyKFJWFTTXPFDTPL-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol?
The IUPAC name of (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol (CID 78109943) is (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol.
What is the SMILES notation for (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol?
The canonical SMILES for (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol is CC1(C)CCCC2(C)CC(CO)CC12.
What is the InChIKey of (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol?
The InChIKey is KFJWFTTXPFDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2)5-4-6-13(3)8-10(9-14)7-11(12)13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol?
(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 78109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).